3-(3-methoxyphenyl)sulfanyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-(3-methoxyphenyl)sulfanyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 3-[(3-methoxyphenyl)thio]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 1-benzyl-3-[(3-methoxyphenyl)thio]indole-2-carboxylic acid Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H19NO3S/c1-27-17-10-7-11-18(14-17)28-22-19-12-5-6-13-20(19)24(21(22)23(25)26)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,26)